3606-0139 Screening compound: 8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carboxamide

3606-0139 Screening compound: 8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carboxamide
3606-0139 Screening compound: 8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3606-0139
8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3606-0139

Molecular Formula

C21H27N3O (C21 H27 N3 O)

Compound Name

8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carboxamide

IUPAC name

12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene-4-carboxamide

SMILES

NC(N1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)=O

InChI

InChI=1S/C21H27N3O/c22-21(25)24-12-11-23-18-10-9-15(14-5-2-1-3-6-14)13-17(18)16-7-4-8-19(24)20(16)23/h9-10,13-14,19H,1-8,11-12H2,(H2,22,25)/t19-/m0/s1

InChI Key

GPYPKGJDNITRCU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00378370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.64

Polar Surface Area

35.406

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

3606-0139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3606-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3606-0139?
Check Price and Availability of 3606-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3606-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3606-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3606-0139
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3606-0139 available by request